N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-(4-pyridylthio)acetamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)CSC4=CC=NC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)CSC4=CC=NC=C4)OC1

InChI

InChI=1S/C22H21N3O5S2/c26-22(15-31-18-8-10-23-11-9-18)24-16-2-4-17(5-3-16)25-32(27,28)19-6-7-20-21(14-19)30-13-1-12-29-20/h2-11,14,25H,1,12-13,15H2,(H,24,26)